NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8814 8.3544 109.7366 44.5973 0.0000 172.7652 2 S 3.8532 7.7946 118.2042 55.9951 63.6250 171.9662 3 S 4.2001 8.8523 119.7850 59.2544 63.6377 172.5788 4 G 3.7072 10.3866 121.1994 45.2082 0.0000 173.4900 5 S 3.6698 7.1734 114.5303 58.8204 62.4347 174.2470 6 S 4.3726 7.8408 115.3361 58.2170 61.5818 171.8220 7 G 3.9773 8.0811 114.7284 44.6160 0.0000 169.6290 8 T 4.5351 8.3419 115.5337 59.6748 70.9988 175.4073 9 R 4.3045 8.3716 127.3645 55.1456 28.5615 175.9282 10 E 4.0902 8.1451 120.3728 58.5408 30.2867 177.9776 11 K 4.5042 7.6888 117.0706 54.4092 33.5990 174.9650 12 P 4.2546 0.0000 0.0000 66.0833 31.7821 176.4995 13 Y 4.3790 7.7794 118.7766 57.3712 38.6149 174.7181 14 E 5.9483 8.7843 122.8329 53.4873 33.8713 175.0537 15 C 4.4401 8.7234 123.5591 59.0821 32.3932 173.9789 16 S 4.4025 8.9517 120.3991 59.7230 62.3814 174.4467 17 E 4.2365 8.0616 118.7769 59.1231 29.9429 176.6235 18 C 4.4956 7.9857 111.0039 60.0839 31.3133 174.0836 19 G 3.8523 8.1264 105.8838 44.3935 0.0000 173.2684 20 K 3.9974 8.2864 122.0234 56.6798 33.0575 174.5700 21 A 5.4029 7.5585 120.7219 50.6315 22.2862 175.4309 22 F 4.7829 9.3824 116.8804 56.6530 43.5399 176.0244 23 I 4.0309 8.7459 122.3572 63.4708 37.7069 176.9362 24 R 4.6624 7.6541 117.7668 53.4794 33.4765 175.1765 25 N 3.1400 7.2733 120.2712 56.9643 38.5324 177.0683 26 S 3.9313 7.7952 115.4053 61.9392 62.6721 177.0031 27 Q 3.9096 7.6488 119.4112 58.7458 28.7615 178.1683 28 L 2.0000 7.1278 120.5708 57.3628 42.0780 178.4847 29 I 3.4907 7.3200 119.7482 64.7482 37.2763 178.0846 30 V 3.5888 7.3242 118.4147 66.6169 30.3141 177.3649 31 H 4.4640 8.4269 117.5532 58.5606 29.7455 176.8290 32 Q 4.2555 8.3491 119.9115 57.9449 28.4419 177.9636 33 R 3.9213 7.2467 117.8679 59.7665 30.1625 178.4126 34 T 4.0156 7.6891 111.0939 65.3351 67.5501 175.7336 35 H 4.2254 7.4611 114.1533 57.7971 29.1091 176.3393 36 S 3.9604 7.4912 115.5183 58.1782 63.1750 174.4714 37 G 3.9472 7.4257 111.0654 46.2633 0.0000 172.5633 38 E 4.5729 8.4484 117.0485 54.1774 29.4039 175.4907 39 S 4.6642 8.1063 117.3246 57.1037 65.4697 174.0164 40 G 3.8408 8.5953 110.5159 45.4425 0.0000 171.3599 41 P 4.4253 0.0000 0.0000 63.1347 32.6059 175.9889 42 S 3.7471 8.4065 109.2800 59.5106 59.8655 170.2059 43 S 4.4872 8.0791 112.0543 57.3444 63.4317 173.6255 44 G 3.7484 8.4215 112.2924 45.6863 0.0000 173.1507 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.79 3.85 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.85 4.20 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 10.39 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.17 3.67 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.84 4.37 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.34 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 R 8.37 4.30 0.00 1.82 2.03 0.00 3.20 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 10 E 8.15 4.09 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 11 K 7.69 4.50 0.00 1.71 1.98 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 12 P 0.00 4.25 0.00 1.72 2.02 0.00 4.04 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 13 Y 7.78 4.38 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.78 5.95 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.16 0.00 15 C 8.72 4.44 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.95 4.40 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.06 4.24 0.00 1.52 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 18 C 7.99 4.50 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.13 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.29 4.00 0.00 1.86 1.89 0.00 1.50 0.00 0.00 1.32 0.00 0.00 2.88 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.65 1.19 7.81 21 A 7.56 5.40 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.38 4.78 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.75 4.03 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 0.99 0.00 0.00 24 R 7.65 4.66 0.00 1.71 1.68 0.00 3.45 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 25 N 7.27 3.14 0.00 2.21 2.52 0.00 0.00 6.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.80 3.93 0.00 3.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.65 3.91 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 28 L 7.13 2.00 0.00 0.96 1.33 0.71 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.32 3.49 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.30 0.84 0.00 0.00 30 V 7.32 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 31 H 8.43 4.46 0.00 3.51 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.35 4.26 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 33 R 7.25 3.92 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 34 T 7.69 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 35 H 7.46 4.23 0.00 3.31 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.49 3.96 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.43 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.45 4.57 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 39 S 8.11 4.66 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.60 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.43 0.00 2.19 2.10 0.00 3.87 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 42 S 8.41 3.75 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.08 4.49 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.42 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00